3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one

C19H21NO3 — CID 137334837

IUPAC3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one
SMILESCOc1cccc(C2CCN2C(=O)CCc2cccc(O)c2)c1
InChIInChI=1S/C19H21NO3/c1-23-17-7-3-5-15(13-17)18-10-11-20(18)19(22)9-8-14-4-2-6-16(21)12-14/h2-7,12-13,18,21H,8-11H2,1H3
InChIKeyNBYUMZZLPINJOM-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.31
Rot. Bonds5

About 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one

3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one (PubChem CID 137334837) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one
PubChem CID137334837
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one
SMILESCOc1cccc(C2CCN2C(=O)CCc2cccc(O)c2)c1
InChIInChI=1S/C19H21NO3/c1-23-17-7-3-5-15(13-17)18-10-11-20(18)19(22)9-8-14-4-2-6-16(21)12-14/h2-7,12-13,18,21H,8-11H2,1H3
InChIKeyNBYUMZZLPINJOM-UHFFFAOYSA-N
XLogP3.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97279560
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97277567
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 120803115
3-methoxy-1-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97269461
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97282486
1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 74247323

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one (CID 137334837) is 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one is COc1cccc(C2CCN2C(=O)CCc2cccc(O)c2)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one?
The InChIKey is NBYUMZZLPINJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-17-7-3-5-15(13-17)18-10-11-20(18)19(22)9-8-14-4-2-6-16(21)12-14/h2-7,12-13,18,21H,8-11H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one?
3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one has a molecular weight of 311.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 137334837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).